CID 12894118

54609-15-3

Structural Information

Molecular Formula
C9H15NO
SMILES
CC1=CC=C(N1CCCO)C
InChI
InChI=1S/C9H15NO/c1-8-4-5-9(2)10(8)6-3-7-11/h4-5,11H,3,6-7H2,1-2H3
InChIKey
GOUOXVSGSPMQQY-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylpyrrol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

153.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 133.4
[M+Na]+ 176.104588 142.2
[M-H]- 152.108094 134.7
[M+NH4]+ 171.149193 155.0
[M+K]+ 192.078528 140.1
[M+H-H2O]+ 136.112630 127.8
[M+HCOO]- 198.113571 156.1
[M+CH3COO]- 212.129221 175.7
[M+Na-2H]- 174.090036 137.4
[M]+ 153.11482142 134.8
[M]- 153.11591858 134.8
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