CID 83808

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

Structural Information

Molecular Formula
C8H14ClN3O2
SMILES
C1CCC(C1)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C8H14ClN3O2/c9-5-6-12(11-14)8(13)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,13)
InChIKey
XZGYNWBIAGZROB-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-cyclopentyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.07745 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08473 149.3
[M+Na]+ 242.06667 153.9
[M-H]- 218.07017 154.7
[M+NH4]+ 237.11127 170.2
[M+K]+ 258.04061 153.2
[M+H-H2O]+ 202.07471 142.8
[M+HCOO]- 264.07565 172.2
[M+CH3COO]- 278.09130 195.5
[M+Na-2H]- 240.05212 152.6
[M]+ 219.07690 150.0
[M]- 219.07800 150.0
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.