CID 11966224

1-(3-aminopropyl)pyrrolinium

Structural Information

Molecular Formula
C7H15N2
SMILES
C1CC=[N+](C1)CCCN
InChI
InChI=1S/C7H15N2/c8-4-3-7-9-5-1-2-6-9/h5H,1-4,6-8H2/q+1
InChIKey
IWGWVCORJJKREY-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

127.12352 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.13080 127.4
[M+Na]+ 150.11274 133.6
[M-H]- 126.11624 129.0
[M+NH4]+ 145.15734 149.1
[M+K]+ 166.08668 127.0
[M+H-H2O]+ 110.12078 123.7
[M+HCOO]- 172.12172 150.7
[M+CH3COO]- 186.13737 166.0
[M+Na-2H]- 148.09819 135.0
[M]+ 127.12297 123.3
[M]- 127.12407 123.3
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