CID 1519366

(3r)-pyrrolidin-3-ylmethanamine

Structural Information

Molecular Formula
C5H12N2
SMILES
C1CNC[C@H]1CN
InChI
InChI=1S/C5H12N2/c6-3-5-1-2-7-4-5/h5,7H,1-4,6H2/t5-/m1/s1
InChIKey
OQCUGPQOZNYIMV-RXMQYKEDSA-N
Compound name
[(3R)-pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

993
Patents

100.10005 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.107326 121.0
[M+Na]+ 123.089268 126.6
[M-H]- 99.092774 120.9
[M+NH4]+ 118.133873 143.2
[M+K]+ 139.063208 125.1
[M+H-H2O]+ 83.097310 115.0
[M+HCOO]- 145.098251 142.2
[M+CH3COO]- 159.113901 164.2
[M+Na-2H]- 121.074716 125.8
[M]+ 100.09950142 114.1
[M]- 100.10059858 114.1
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