CID 15110479

3-(azetidin-1-yl)propan-1-amine

Structural Information

Molecular Formula
C6H14N2
SMILES
C1CN(C1)CCCN
InChI
InChI=1S/C6H14N2/c7-3-1-4-8-5-2-6-8/h1-7H2
InChIKey
YFZGXSSOURPKGL-UHFFFAOYSA-N
Compound name
3-(azetidin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

114.1157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.122976 124.8
[M+Na]+ 137.104918 129.5
[M-H]- 113.108424 126.0
[M+NH4]+ 132.149523 139.1
[M+K]+ 153.078858 131.8
[M+H-H2O]+ 97.112960 113.4
[M+HCOO]- 159.113901 145.9
[M+CH3COO]- 173.129551 175.5
[M+Na-2H]- 135.090366 130.8
[M]+ 114.11515142 130.5
[M]- 114.11624858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe