CID 42679

10-pyrrolidinyl-bornan-2-exo-ol

Structural Information

Molecular Formula
C14H25NO
SMILES
CC1(C2CCC1(C(C2)O)CN3CCCC3)C
InChI
InChI=1S/C14H25NO/c1-13(2)11-5-6-14(13,12(16)9-11)10-15-7-3-4-8-15/h11-12,16H,3-10H2,1-2H3
InChIKey
WWHMRKDXHQAWBC-UHFFFAOYSA-N
Compound name
7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.200896 157.2
[M+Na]+ 246.182838 163.6
[M-H]- 222.186344 160.4
[M+NH4]+ 241.227443 184.1
[M+K]+ 262.156778 160.1
[M+H-H2O]+ 206.190880 152.7
[M+HCOO]- 268.191821 173.7
[M+CH3COO]- 282.207471 168.7
[M+Na-2H]- 244.168286 156.7
[M]+ 223.19307142 153.7
[M]- 223.19416858 153.7
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

No patent data available for this compound.