CID 12698240

4-chlorobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H10ClN
SMILES
C(CCCl)CN
InChI
InChI=1S/C4H10ClN/c5-3-1-2-4-6/h1-4,6H2
InChIKey
OEOOQMSPHMFXJL-UHFFFAOYSA-N
Compound name
4-chlorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

426
Patents

107.05018 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05746 120.2
[M+Na]+ 130.03940 128.1
[M-H]- 106.04290 120.0
[M+NH4]+ 125.08400 143.6
[M+K]+ 146.01334 125.9
[M+H-H2O]+ 90.047440 116.9
[M+HCOO]- 152.04838 140.4
[M+CH3COO]- 166.06403 169.2
[M+Na-2H]- 128.02485 127.1
[M]+ 107.04963 120.6
[M]- 107.05073 120.6
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