CID 56828127

3-(aminomethyl)-5-methylhexan-1-olhydrochloride

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)CC(CCO)CN
InChI
InChI=1S/C8H19NO/c1-7(2)5-8(6-9)3-4-10/h7-8,10H,3-6,9H2,1-2H3
InChIKey
KOHNSJBPXZDCHN-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-methylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

145.14667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 137.7
[M+Na]+ 168.13589 142.3
[M-H]- 144.13939 135.7
[M+NH4]+ 163.18049 157.9
[M+K]+ 184.10983 141.6
[M+H-H2O]+ 128.14393 132.7
[M+HCOO]- 190.14487 157.9
[M+CH3COO]- 204.16052 178.4
[M+Na-2H]- 166.12134 139.6
[M]+ 145.14612 136.0
[M]- 145.14722 136.0
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