CID 22263

1,3-bis(dimethylamino)-2-propanol

Structural Information

Molecular Formula
C7H18N2O
SMILES
CN(C)CC(CN(C)C)O
InChI
InChI=1S/C7H18N2O/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3
InChIKey
JGVZJRHAZOBPMW-UHFFFAOYSA-N
Compound name
1,3-bis(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1439
Patents

146.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.14918 136.0
[M+Na]+ 169.13112 140.7
[M-H]- 145.13462 137.6
[M+NH4]+ 164.17572 157.4
[M+K]+ 185.10506 143.0
[M+H-H2O]+ 129.13916 130.2
[M+HCOO]- 191.14010 160.2
[M+CH3COO]- 205.15575 187.2
[M+Na-2H]- 167.11657 139.5
[M]+ 146.14135 137.3
[M]- 146.14245 137.3
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

No patent data available for this compound.