CID 90913506

2416235-94-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 125.2
[M+Na]+ 144.05505 133.2
[M-H]- 120.05855 125.2
[M+NH4]+ 139.09965 148.2
[M+K]+ 160.02899 130.9
[M+H-H2O]+ 104.06309 122.2
[M+HCOO]- 166.06403 143.5
[M+CH3COO]- 180.07968 172.5
[M+Na-2H]- 142.04050 132.0
[M]+ 121.06528 125.4
[M]- 121.06638 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