CID 21279632

3-chloro-3-methylbutan-2-amine hydrochloride

Structural Information

Molecular Formula
C5H12ClN
SMILES
CC(C(C)(C)Cl)N
InChI
InChI=1S/C5H12ClN/c1-4(7)5(2,3)6/h4H,7H2,1-3H3
InChIKey
JFHSPHZVPIHHDL-UHFFFAOYSA-N
Compound name
3-chloro-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 125.0
[M+Na]+ 144.055048 132.7
[M-H]- 120.058554 125.1
[M+NH4]+ 139.099653 148.0
[M+K]+ 160.028988 131.0
[M+H-H2O]+ 104.063090 122.1
[M+HCOO]- 166.064031 142.4
[M+CH3COO]- 180.079681 173.3
[M+Na-2H]- 142.040496 130.6
[M]+ 121.06528142 124.6
[M]- 121.06637858 124.6
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