CID 11073348

27472-36-2

Structural Information

Molecular Formula
C5H7NO
SMILES
C1=CNC(=C1)CO
InChI
InChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1-3,6-7H,4H2
InChIKey
KORIJXKQGMTQTO-UHFFFAOYSA-N
Compound name
1H-pyrrol-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1003
Patents

97.052765 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 116.7
[M+Na]+ 120.04198 124.8
[M-H]- 96.045489 116.4
[M+NH4]+ 115.08659 139.0
[M+K]+ 136.01592 122.8
[M+H-H2O]+ 80.050025 111.4
[M+HCOO]- 142.05097 139.2
[M+CH3COO]- 156.06662 158.7
[M+Na-2H]- 118.02743 123.7
[M]+ 97.052216 113.9
[M]- 97.053314 113.9
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