CID 24839907

Leu cnu

Structural Information

Molecular Formula
C10H18ClN3O4
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H18ClN3O4/c1-7(2)6-8(9(15)18-3)12-10(16)14(13-17)5-4-11/h7-8H,4-6H2,1-3H3,(H,12,16)/t8-/m0/s1
InChIKey
IPNGOEYIKUFLIC-QMMMGPOBSA-N
Compound name
methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.09857 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10585 163.6
[M+Na]+ 302.08779 168.0
[M-H]- 278.09129 166.4
[M+NH4]+ 297.13239 180.6
[M+K]+ 318.06173 169.0
[M+H-H2O]+ 262.09583 157.7
[M+HCOO]- 324.09677 184.5
[M+CH3COO]- 338.11242 210.7
[M+Na-2H]- 300.07324 163.8
[M]+ 279.09802 170.1
[M]- 279.09912 170.1
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

No patent data available for this compound.