CID 64087932

2-(azepan-2-yl)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C1CCCCCN1)O
InChI
InChI=1S/C9H19NO/c1-9(2,11)8-6-4-3-5-7-10-8/h8,10-11H,3-7H2,1-2H3
InChIKey
WTMZOMJOIMJQBW-UHFFFAOYSA-N
Compound name
2-(azepan-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 132.8
[M+Na]+ 180.135888 134.9
[M-H]- 156.139394 132.6
[M+NH4]+ 175.180493 149.5
[M+K]+ 196.109828 137.2
[M+H-H2O]+ 140.143930 127.4
[M+HCOO]- 202.144871 146.9
[M+CH3COO]- 216.160521 174.5
[M+Na-2H]- 178.121336 137.5
[M]+ 157.14612142 123.3
[M]- 157.14721858 123.3
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.