CID 72482574

3-methyl-1-[(pyrrolidin-2-yl)methyl]urea hydrochloride

Structural Information

Molecular Formula
C7H15N3O
SMILES
CNC(=O)NCC1CCCN1
InChI
InChI=1S/C7H15N3O/c1-8-7(11)10-5-6-3-2-4-9-6/h6,9H,2-5H2,1H3,(H2,8,10,11)
InChIKey
YRKJGBJXQSEVRL-UHFFFAOYSA-N
Compound name
1-methyl-3-(pyrrolidin-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.1215 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 135.7
[M+Na]+ 180.110718 139.6
[M-H]- 156.114224 135.8
[M+NH4]+ 175.155323 155.4
[M+K]+ 196.084658 138.3
[M+H-H2O]+ 140.118760 128.8
[M+HCOO]- 202.119701 157.3
[M+CH3COO]- 216.135351 176.6
[M+Na-2H]- 178.096166 139.6
[M]+ 157.12095142 129.6
[M]- 157.12204858 129.6
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