CID 200321

1507-81-9

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCC1(CCN(C1)C)C2=CC=C(C=C2)O
InChI
InChI=1S/C14H21NO/c1-3-8-14(9-10-15(2)11-14)12-4-6-13(16)7-5-12/h4-7,16H,3,8-11H2,1-2H3
InChIKey
BFYUBQQTQCXHIA-UHFFFAOYSA-N
Compound name
4-(1-methyl-3-propylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.7
[M+Na]+ 242.15153 158.6
[M-H]- 218.15503 155.6
[M+NH4]+ 237.19613 172.1
[M+K]+ 258.12547 155.0
[M+H-H2O]+ 202.15957 145.1
[M+HCOO]- 264.16051 171.5
[M+CH3COO]- 278.17616 186.4
[M+Na-2H]- 240.13698 154.5
[M]+ 219.16176 149.8
[M]- 219.16286 149.8
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

No patent data available for this compound.