CID 62061849

2-[3-(aminomethyl)pyrrolidin-1-yl]acetonitrile hydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
C1CN(CC1CN)CC#N
InChI
InChI=1S/C7H13N3/c8-2-4-10-3-1-7(5-9)6-10/h7H,1,3-6,9H2
InChIKey
YJGPXQPUYAAKRH-UHFFFAOYSA-N
Compound name
2-[3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.11095 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 128.6
[M+Na]+ 162.10017 136.6
[M-H]- 138.10367 129.6
[M+NH4]+ 157.14477 147.8
[M+K]+ 178.07411 134.6
[M+H-H2O]+ 122.10821 115.4
[M+HCOO]- 184.10915 147.1
[M+CH3COO]- 198.12480 188.2
[M+Na-2H]- 160.08562 132.2
[M]+ 139.11040 120.0
[M]- 139.11150 120.0
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.