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]+ 144.138286 127.3
[M+Na]+ 166.120228 130.6
[M-H]- 142.123734 128.6
[M+NH4]+ 161.164833 145.4
[M+K]+ 182.094168 133.7
[M+H-H2O]+ 126.128270 121.6
[M+HCOO]- 188.129211 144.6
[M+CH3COO]- 202.144861 174.9
[M+Na-2H]- 164.105676 131.8
[M]+ 143.13046142 120.1
[M]- 143.13155858 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