CID 155858620

2715120-02-6

Structural Information

Molecular Formula
C11H18FNO2
SMILES
CCOC(=O)C1(CC2(C1)CC(C2)F)CN
InChI
InChI=1S/C11H18FNO2/c1-2-15-9(14)11(7-13)5-10(6-11)3-8(12)4-10/h8H,2-7,13H2,1H3
InChIKey
JNHVQUCDINKPSH-UHFFFAOYSA-N
Compound name
ethyl 2-(aminomethyl)-6-fluorospiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13216 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13944 148.9
[M+Na]+ 238.12138 152.5
[M-H]- 214.12488 152.6
[M+NH4]+ 233.16598 157.6
[M+K]+ 254.09532 156.5
[M+H-H2O]+ 198.12942 135.7
[M+HCOO]- 260.13036 165.2
[M+CH3COO]- 274.14601 200.7
[M+Na-2H]- 236.10683 151.5
[M]+ 215.13161 162.8
[M]- 215.13271 162.8
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.