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

8
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 124.1
[M+Na]+ 152.104588 127.4
[M-H]- 128.108094 124.2
[M+NH4]+ 147.149193 142.0
[M+K]+ 168.078528 129.9
[M+H-H2O]+ 112.112630 118.7
[M+HCOO]- 174.113571 140.3
[M+CH3COO]- 188.129221 169.5
[M+Na-2H]- 150.090036 128.5
[M]+ 129.11482142 114.7
[M]- 129.11591858 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