CID 86686497

2377031-86-0

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1CC(CCNC1)O
InChI
InChI=1S/C7H15NO/c1-6-4-7(9)2-3-8-5-6/h6-9H,2-5H2,1H3
InChIKey
BRTHDWOYSPJQCA-UHFFFAOYSA-N
Compound name
6-methylazepan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 124.1
[M+Na]+ 152.10459 127.4
[M-H]- 128.10809 124.2
[M+NH4]+ 147.14919 142.0
[M+K]+ 168.07853 129.9
[M+H-H2O]+ 112.11263 118.7
[M+HCOO]- 174.11357 140.3
[M+CH3COO]- 188.12922 169.5
[M+Na-2H]- 150.09004 128.5
[M]+ 129.11482 114.7
[M]- 129.11592 114.7
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