CID 469991

2-[2-[[1-(hydroxymethyl)-2-methyl-propyl]amino]ethylamino]-3-methyl-butan-1-ol

Structural Information

Molecular Formula
C12H28N2O2
SMILES
CC(C)C(CO)NCCNC(CO)C(C)C
InChI
InChI=1S/C12H28N2O2/c1-9(2)11(7-15)13-5-6-14-12(8-16)10(3)4/h9-16H,5-8H2,1-4H3
InChIKey
FCMJYBODSAOANO-UHFFFAOYSA-N
Compound name
2-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]ethylamino]-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

232.21507 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22235 163.5
[M+Na]+ 255.20429 164.6
[M-H]- 231.20779 159.9
[M+NH4]+ 250.24889 179.1
[M+K]+ 271.17823 164.0
[M+H-H2O]+ 215.21233 157.2
[M+HCOO]- 277.21327 180.7
[M+CH3COO]- 291.22892 197.6
[M+Na-2H]- 253.18974 161.3
[M]+ 232.21452 161.6
[M]- 232.21562 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe