CID 96997

1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitrosourea

Structural Information

Molecular Formula
C9H16ClN3O2
SMILES
CC1(CCCC1)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C9H16ClN3O2/c1-9(4-2-3-5-9)11-8(14)13(12-15)7-6-10/h2-7H2,1H3,(H,11,14)
InChIKey
IYBJGNAJINQPDR-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.09311 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10039 151.1
[M+Na]+ 256.08233 157.7
[M+NH4]+ 251.12693 159.6
[M+K]+ 272.05627 152.8
[M-H]- 232.08583 152.8
[M+Na-2H]- 254.06778 156.2
[M]+ 233.09256 152.3
[M]- 233.09366 152.3
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

No patent data available for this compound.