CID 19773519

686746-12-3

Structural Information

Molecular Formula
C5H12ClN
SMILES
CC(C)(CCCl)N
InChI
InChI=1S/C5H12ClN/c1-5(2,7)3-4-6/h3-4,7H2,1-2H3
InChIKey
LAMDARLKXHPLKT-UHFFFAOYSA-N
Compound name
4-chloro-2-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

121.06583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.073106 125.2
[M+Na]+ 144.055048 133.2
[M-H]- 120.058554 125.2
[M+NH4]+ 139.099653 148.2
[M+K]+ 160.028988 130.9
[M+H-H2O]+ 104.063090 122.2
[M+HCOO]- 166.064031 143.5
[M+CH3COO]- 180.079681 172.5
[M+Na-2H]- 142.040496 132.0
[M]+ 121.06528142 125.4
[M]- 121.06637858 125.4
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

patents stripe