CID 121489243

(2s)-2-[(2-{[(2s)-1-hydroxybutan-2-yl](nitroso)amino}ethyl)(nitroso)amino]butan-1-ol

Structural Information

Molecular Formula
C10H22N4O4
SMILES
CC[C@@H](CO)N(CCN([C@@H](CC)CO)N=O)N=O
InChI
InChI=1S/C10H22N4O4/c1-3-9(7-15)13(11-17)5-6-14(12-18)10(4-2)8-16/h9-10,15-16H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey
GEIAKCPGVIYGOY-UWVGGRQHSA-N
Compound name
N-[(2S)-1-hydroxybutan-2-yl]-N-[2-[[(2S)-1-hydroxybutan-2-yl]-nitrosoamino]ethyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

262.1641 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17138 161.3
[M+Na]+ 285.15332 163.5
[M-H]- 261.15682 163.6
[M+NH4]+ 280.19792 177.5
[M+K]+ 301.12726 167.0
[M+H-H2O]+ 245.16136 153.1
[M+HCOO]- 307.16230 188.1
[M+CH3COO]- 321.17795 214.3
[M+Na-2H]- 283.13877 163.4
[M]+ 262.16355 166.3
[M]- 262.16465 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe