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 132.9
[M+Na]+ 162.10017 141.5
[M+NH4]+ 157.14477 137.5
[M+K]+ 178.07411 134.6
[M-H]- 138.10367 126.7
[M+Na-2H]- 160.08562 134.4
[M]+ 139.11040 131.2
[M]- 139.11150 131.2
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.