CID 137951932

2193052-03-6

Structural Information

Molecular Formula
C9H18N2O2
SMILES
C1C[C@@H]2COC[C@](N2C1)(CN)CO
InChI
InChI=1S/C9H18N2O2/c10-5-9(6-12)7-13-4-8-2-1-3-11(8)9/h8,12H,1-7,10H2/t8-,9+/m1/s1
InChIKey
BNHSZQMAMVRWTA-BDAKNGLRSA-N
Compound name
[(4S,8aR)-4-(aminomethyl)-1,3,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 141.1
[M+Na]+ 209.126048 146.4
[M-H]- 185.129554 142.1
[M+NH4]+ 204.170653 161.7
[M+K]+ 225.099988 145.3
[M+H-H2O]+ 169.134090 135.5
[M+HCOO]- 231.135031 157.5
[M+CH3COO]- 245.150681 179.2
[M+Na-2H]- 207.111496 146.2
[M]+ 186.13628142 135.9
[M]- 186.13737858 135.9
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.