CID 34480

29124-44-5

Structural Information

Molecular Formula
C4H12NO
SMILES
C[N+](C)(C)CO
InChI
InChI=1S/C4H12NO/c1-5(2,3)4-6/h6H,4H2,1-3H3/q+1
InChIKey
PRERWTIRVMYUMG-UHFFFAOYSA-N
Compound name
hydroxymethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

501
Patents

90.09189 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.099166 113.1
[M+Na]+ 113.08111 120.9
[M-H]- 89.084614 114.4
[M+NH4]+ 108.12571 136.9
[M+K]+ 129.05505 116.4
[M+H-H2O]+ 73.089150 112.6
[M+HCOO]- 135.09009 137.0
[M+CH3COO]- 149.10574 161.5
[M+Na-2H]- 111.06656 124.7
[M]+ 90.091341 112.1
[M]- 90.092439 112.1
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