CID 22636120

(1-methylazepan-3-yl)methanol

Structural Information

Molecular Formula
C8H17NO
SMILES
CN1CCCCC(C1)CO
InChI
InChI=1S/C8H17NO/c1-9-5-3-2-4-8(6-9)7-10/h8,10H,2-7H2,1H3
InChIKey
SJJXIAHKOZPIDO-UHFFFAOYSA-N
Compound name
(1-methylazepan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 127.3
[M+Na]+ 166.12023 130.6
[M-H]- 142.12373 128.6
[M+NH4]+ 161.16483 145.4
[M+K]+ 182.09417 133.7
[M+H-H2O]+ 126.12827 121.6
[M+HCOO]- 188.12921 144.6
[M+CH3COO]- 202.14486 174.9
[M+Na-2H]- 164.10568 131.8
[M]+ 143.13046 120.1
[M]- 143.13156 120.1
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