CID 10558885

29194-89-6

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCCN(CC1)CCCO
InChI
InChI=1S/C9H19NO/c11-9-5-8-10-6-3-1-2-4-7-10/h11H,1-9H2
InChIKey
KXFQCMKAQXWNSL-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

157.14667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 132.2
[M+Na]+ 180.13589 134.2
[M-H]- 156.13939 132.9
[M+NH4]+ 175.18049 149.4
[M+K]+ 196.10983 136.8
[M+H-H2O]+ 140.14393 126.0
[M+HCOO]- 202.14487 149.2
[M+CH3COO]- 216.16052 176.7
[M+Na-2H]- 178.12134 136.7
[M]+ 157.14612 124.9
[M]- 157.14722 124.9
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