CID 14578459

3-[(dimethylamino)methyl]pyrrolidin-3-ol dihydrochloride

Structural Information

Molecular Formula
C7H16N2O
SMILES
CN(C)CC1(CCNC1)O
InChI
InChI=1S/C7H16N2O/c1-9(2)6-7(10)3-4-8-5-7/h8,10H,3-6H2,1-2H3
InChIKey
WWPGEZLKLDDXQP-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

144.12627 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 132.5
[M+Na]+ 167.11549 137.8
[M-H]- 143.11899 133.0
[M+NH4]+ 162.16009 155.1
[M+K]+ 183.08943 137.3
[M+H-H2O]+ 127.12353 127.1
[M+HCOO]- 189.12447 152.9
[M+CH3COO]- 203.14012 173.3
[M+Na-2H]- 165.10094 137.2
[M]+ 144.12572 128.4
[M]- 144.12682 128.4
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