CID 124707334

1638769-06-8

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2(CC1(C2)CO)N
InChI
InChI=1S/C7H13NO/c8-7-2-1-6(3-7,4-7)5-9/h9H,1-5,8H2
InChIKey
PLIMLQDDYGGJIR-UHFFFAOYSA-N
Compound name
(4-amino-1-bicyclo[2.1.1]hexanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

127.09972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 135.9
[M+Na]+ 150.08894 142.3
[M-H]- 126.09244 135.9
[M+NH4]+ 145.13354 161.1
[M+K]+ 166.06288 142.3
[M+H-H2O]+ 110.09698 130.1
[M+HCOO]- 172.09792 153.8
[M+CH3COO]- 186.11357 175.6
[M+Na-2H]- 148.07439 144.5
[M]+ 127.09917 145.6
[M]- 127.10027 145.6
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