CID 55291220

2839138-87-1

Structural Information

Molecular Formula
C5H12ClN
SMILES
CC(CCN)CCl
InChI
InChI=1S/C5H12ClN/c1-5(4-6)2-3-7/h5H,2-4,7H2,1H3
InChIKey
SQQGGSMHBZQQOM-UHFFFAOYSA-N
Compound name
4-chloro-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.06583 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07311 125.4
[M+Na]+ 144.05505 132.7
[M-H]- 120.05855 125.1
[M+NH4]+ 139.09965 148.2
[M+K]+ 160.02899 130.6
[M+H-H2O]+ 104.06309 121.9
[M+HCOO]- 166.06403 144.3
[M+CH3COO]- 180.07968 173.0
[M+Na-2H]- 142.04050 130.4
[M]+ 121.06528 125.5
[M]- 121.06638 125.5
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.