CID 216094

37096-80-3

Structural Information

Molecular Formula
C14H29NO
SMILES
CC(CCCC(C)(C)O)N1CCCCCC1
InChI
InChI=1S/C14H29NO/c1-13(9-8-10-14(2,3)16)15-11-6-4-5-7-12-15/h13,16H,4-12H2,1-3H3
InChIKey
AUUQQEYJIBJJDU-UHFFFAOYSA-N
Compound name
6-(azepan-1-yl)-2-methylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.22491 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.23219 152.7
[M+Na]+ 250.21413 153.0
[M-H]- 226.21763 153.0
[M+NH4]+ 245.25873 167.5
[M+K]+ 266.18807 155.5
[M+H-H2O]+ 210.22217 146.4
[M+HCOO]- 272.22311 165.8
[M+CH3COO]- 286.23876 192.0
[M+Na-2H]- 248.19958 154.4
[M]+ 227.22436 146.2
[M]- 227.22546 146.2
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.