CID 12801384

4-aminohexan-3-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCC(C(CC)O)N
InChI
InChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKey
IOYVGJNAPMXLLT-UHFFFAOYSA-N
Compound name
4-aminohexan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

86
Patents

117.115364 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 128.4
[M+Na]+ 140.104582 133.9
[M-H]- 116.108088 126.8
[M+NH4]+ 135.149187 149.8
[M+K]+ 156.078522 133.7
[M+H-H2O]+ 100.112624 123.9
[M+HCOO]- 162.113565 149.3
[M+CH3COO]- 176.129215 172.3
[M+Na-2H]- 138.090030 131.4
[M]+ 117.11481542 126.0
[M]- 117.11591258 126.0
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