CID 82593752

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

Structural Information

Molecular Formula
C7H16N2
SMILES
CN1CC(C1)CCCN
InChI
InChI=1S/C7H16N2/c1-9-5-7(6-9)3-2-4-8/h7H,2-6,8H2,1H3
InChIKey
VJKITLMBBJGAKO-UHFFFAOYSA-N
Compound name
3-(1-methylazetidin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 129.9
[M+Na]+ 151.120568 135.1
[M-H]- 127.124074 131.4
[M+NH4]+ 146.165173 144.0
[M+K]+ 167.094508 137.2
[M+H-H2O]+ 111.128610 118.6
[M+HCOO]- 173.129551 150.7
[M+CH3COO]- 187.145201 179.5
[M+Na-2H]- 149.106016 134.6
[M]+ 128.13080142 136.4
[M]- 128.13189858 136.4
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

No patent data available for this compound.