CID 12379457

3-(aminomethyl)pentan-3-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCC(CC)(CN)O
InChI
InChI=1S/C6H15NO/c1-3-6(8,4-2)5-7/h8H,3-5,7H2,1-2H3
InChIKey
OFAPYHPFMXHSQJ-UHFFFAOYSA-N
Compound name
3-(aminomethyl)pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13055
Patents

117.115364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 127.2
[M+Na]+ 140.104582 133.6
[M-H]- 116.108088 125.7
[M+NH4]+ 135.149187 148.8
[M+K]+ 156.078522 132.8
[M+H-H2O]+ 100.112624 123.2
[M+HCOO]- 162.113565 148.5
[M+CH3COO]- 176.129215 170.9
[M+Na-2H]- 138.090030 133.4
[M]+ 117.11481542 125.6
[M]- 117.11591258 125.6
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