CID 3590

Heptaminol

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(CCCC(C)(C)O)N
InChI
InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3
InChIKey
LREQLEBVOXIEOM-UHFFFAOYSA-N
Compound name
6-amino-2-methylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

102
References

2693
Patents

145.14667 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 136.6
[M+Na]+ 168.13589 141.9
[M-H]- 144.13939 134.9
[M+NH4]+ 163.18049 157.1
[M+K]+ 184.10983 141.2
[M+H-H2O]+ 128.14393 132.3
[M+HCOO]- 190.14487 156.3
[M+CH3COO]- 204.16052 177.8
[M+Na-2H]- 166.12134 140.5
[M]+ 145.14612 135.1
[M]- 145.14722 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe