CID 58680714

3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol

Structural Information

Molecular Formula
C10H23NO
SMILES
CC(C)(C)C(CN)(C(C)(C)C)O
InChI
InChI=1S/C10H23NO/c1-8(2,3)10(12,7-11)9(4,5)6/h12H,7,11H2,1-6H3
InChIKey
ABIAWRJNWUVABY-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

173.17796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.18524 143.7
[M+Na]+ 196.16718 149.5
[M-H]- 172.17068 142.4
[M+NH4]+ 191.21178 163.5
[M+K]+ 212.14112 148.8
[M+H-H2O]+ 156.17522 140.5
[M+HCOO]- 218.17616 160.7
[M+CH3COO]- 232.19181 182.8
[M+Na-2H]- 194.15263 149.8
[M]+ 173.17741 142.5
[M]- 173.17851 142.5
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