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

15
Patents

153.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 133.4
[M+Na]+ 176.10459 142.2
[M-H]- 152.10809 134.7
[M+NH4]+ 171.14919 155.0
[M+K]+ 192.07853 140.1
[M+H-H2O]+ 136.11263 127.8
[M+HCOO]- 198.11357 156.1
[M+CH3COO]- 212.12922 175.7
[M+Na-2H]- 174.09004 137.4
[M]+ 153.11482 134.8
[M]- 153.11592 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