CID 9793738

1-(dimethylamino)-2-methylpropan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

663
Patents

117.115364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 126.0
[M+Na]+ 140.104582 132.6
[M-H]- 116.108088 126.6
[M+NH4]+ 135.149187 148.6
[M+K]+ 156.078522 133.7
[M+H-H2O]+ 100.112624 121.9
[M+HCOO]- 162.113565 148.5
[M+CH3COO]- 176.129215 175.1
[M+Na-2H]- 138.090030 132.7
[M]+ 117.11481542 126.8
[M]- 117.11591258 126.8
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