CID 429714

1-(tert-butylamino)-3-chloropropan-2-ol hydrochloride

Structural Information

Molecular Formula
C7H16ClNO
SMILES
CC(C)(C)NCC(CCl)O
InChI
InChI=1S/C7H16ClNO/c1-7(2,3)9-5-6(10)4-8/h6,9-10H,4-5H2,1-3H3
InChIKey
CMTRKCHBUYKDSI-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-chloropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

165.09204 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09932 137.6
[M+Na]+ 188.08126 144.2
[M-H]- 164.08476 136.6
[M+NH4]+ 183.12586 158.5
[M+K]+ 204.05520 141.8
[M+H-H2O]+ 148.08930 134.4
[M+HCOO]- 210.09024 153.8
[M+CH3COO]- 224.10589 178.7
[M+Na-2H]- 186.06671 142.7
[M]+ 165.09149 138.5
[M]- 165.09259 138.5
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