CID 62063216

Methyl 3-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H14N2O2
SMILES
COC(=O)N1CCC(C1)CN
InChI
InChI=1S/C7H14N2O2/c1-11-7(10)9-3-2-6(4-8)5-9/h6H,2-5,8H2,1H3
InChIKey
CSHBJCPDOQRAEV-UHFFFAOYSA-N
Compound name
methyl 3-(aminomethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

158.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 135.0
[M+Na]+ 181.094748 141.2
[M-H]- 157.098254 136.5
[M+NH4]+ 176.139353 155.8
[M+K]+ 197.068688 140.9
[M+H-H2O]+ 141.102790 128.7
[M+HCOO]- 203.103731 156.7
[M+CH3COO]- 217.119381 176.7
[M+Na-2H]- 179.080196 137.3
[M]+ 158.10498142 132.4
[M]- 158.10607858 132.4
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