CID 146050340

2413866-56-3

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC1(C(CC1(CO)N)O)C
InChI
InChI=1S/C7H15NO2/c1-6(2)5(10)3-7(6,8)4-9/h5,9-10H,3-4,8H2,1-2H3
InChIKey
RVZYHWLJDPPMFS-UHFFFAOYSA-N
Compound name
3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 134.5
[M+Na]+ 168.099498 141.2
[M-H]- 144.103004 135.9
[M+NH4]+ 163.144103 151.8
[M+K]+ 184.073438 142.5
[M+H-H2O]+ 128.107540 127.4
[M+HCOO]- 190.108481 153.8
[M+CH3COO]- 204.124131 176.4
[M+Na-2H]- 166.084946 139.5
[M]+ 145.10973142 140.6
[M]- 145.11082858 140.6
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

No patent data available for this compound.