CID 55290156

4-amino-3,3-dimethylbutan-1-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)(CCO)CN
InChI
InChI=1S/C6H15NO/c1-6(2,5-7)3-4-8/h8H,3-5,7H2,1-2H3
InChIKey
INBMMXYCODJFAA-UHFFFAOYSA-N
Compound name
4-amino-3,3-dimethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

117.115364 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 127.2
[M+Na]+ 140.10458 133.6
[M-H]- 116.10809 125.7
[M+NH4]+ 135.14919 148.8
[M+K]+ 156.07852 132.8
[M+H-H2O]+ 100.11262 123.2
[M+HCOO]- 162.11356 148.5
[M+CH3COO]- 176.12922 170.9
[M+Na-2H]- 138.09003 133.4
[M]+ 117.11482 125.6
[M]- 117.11591 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