CID 76646

3179-63-3

Structural Information

Molecular Formula
C5H13NO
SMILES
CN(C)CCCO
InChI
InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
InChIKey
PYSGFFTXMUWEOT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

18824
Patents

103.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.0
[M+Na]+ 126.08894 128.5
[M-H]- 102.09244 122.4
[M+NH4]+ 121.13354 145.0
[M+K]+ 142.06288 129.4
[M+H-H2O]+ 86.096980 117.3
[M+HCOO]- 148.09792 146.3
[M+CH3COO]- 162.11357 171.8
[M+Na-2H]- 124.07439 128.5
[M]+ 103.09917 122.8
[M]- 103.10027 122.8
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