CID 3890590

2-heptylpyrrolidine

Structural Information

Molecular Formula
C11H23N
SMILES
CCCCCCCC1CCCN1
InChI
InChI=1S/C11H23N/c1-2-3-4-5-6-8-11-9-7-10-12-11/h11-12H,2-10H2,1H3
InChIKey
QMEZJRZPBIGNKV-UHFFFAOYSA-N
Compound name
2-heptylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.19032 144.7
[M+Na]+ 192.17226 148.6
[M-H]- 168.17576 144.0
[M+NH4]+ 187.21686 164.7
[M+K]+ 208.14620 146.0
[M+H-H2O]+ 152.18030 138.0
[M+HCOO]- 214.18124 163.5
[M+CH3COO]- 228.19689 178.4
[M+Na-2H]- 190.15771 146.8
[M]+ 169.18249 141.7
[M]- 169.18359 141.7
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