CID 99002

77883-50-2

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(CN1CCCCCC1)O
InChI
InChI=1S/C9H19NO/c1-9(11)8-10-6-4-2-3-5-7-10/h9,11H,2-8H2,1H3
InChIKey
RHULHUMGLDCWCP-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

157.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 131.9
[M+Na]+ 180.135888 133.7
[M-H]- 156.139394 132.7
[M+NH4]+ 175.180493 149.1
[M+K]+ 196.109828 136.9
[M+H-H2O]+ 140.143930 125.8
[M+HCOO]- 202.144871 147.9
[M+CH3COO]- 216.160521 177.5
[M+Na-2H]- 178.121336 135.3
[M]+ 157.14612142 124.0
[M]- 157.14721858 124.0
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