CID 135393319

2231675-05-9

Structural Information

Molecular Formula
C7H13NO
SMILES
COC12CC(C1)(C2)CN
InChI
InChI=1S/C7H13NO/c1-9-7-2-6(3-7,4-7)5-8/h2-5,8H2,1H3
InChIKey
YWPUQWLTXMVAIG-UHFFFAOYSA-N
Compound name
(3-methoxy-1-bicyclo[1.1.1]pentanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 146.6
[M+Na]+ 150.08894 150.4
[M-H]- 126.09244 149.7
[M+NH4]+ 145.13354 154.0
[M+K]+ 166.06288 156.4
[M+H-H2O]+ 110.09698 133.7
[M+HCOO]- 172.09792 160.5
[M+CH3COO]- 186.11357 204.0
[M+Na-2H]- 148.07439 153.6
[M]+ 127.09917 170.7
[M]- 127.10027 170.7
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