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

8
Patents

157.1215 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.12878 135.7
[M+Na]+ 180.11072 139.6
[M-H]- 156.11422 135.8
[M+NH4]+ 175.15532 155.4
[M+K]+ 196.08466 138.3
[M+H-H2O]+ 140.11876 128.8
[M+HCOO]- 202.11970 157.3
[M+CH3COO]- 216.13535 176.6
[M+Na-2H]- 178.09617 139.6
[M]+ 157.12095 129.6
[M]- 157.12205 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