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
1
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]+ 158.15395 131.9
[M+Na]+ 180.13589 133.7
[M-H]- 156.13939 132.7
[M+NH4]+ 175.18049 149.1
[M+K]+ 196.10983 136.9
[M+H-H2O]+ 140.14393 125.8
[M+HCOO]- 202.14487 147.9
[M+CH3COO]- 216.16052 177.5
[M+Na-2H]- 178.12134 135.3
[M]+ 157.14612 124.0
[M]- 157.14722 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