CID 15015390

Schembl12820842

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1=CC=C(N1C)CO
InChI
InChI=1S/C7H11NO/c1-6-3-4-7(5-9)8(6)2/h3-4,9H,5H2,1-2H3
InChIKey
WAFOLHCXZDBBES-UHFFFAOYSA-N
Compound name
(1,5-dimethylpyrrol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

125.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.0
[M+Na]+ 148.073278 133.7
[M-H]- 124.076784 125.7
[M+NH4]+ 143.117883 146.7
[M+K]+ 164.047218 132.1
[M+H-H2O]+ 108.081320 118.9
[M+HCOO]- 170.082261 147.4
[M+CH3COO]- 184.097911 169.6
[M+Na-2H]- 146.058726 129.1
[M]+ 125.08351142 124.7
[M]- 125.08460858 124.7
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